3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C20H26N6 — CID 67950023

IUPAC3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C20H26N6/c1-13(2)11-15-12-26(10-9-21-15)17-7-6-14(3)18(23-17)19-16-5-4-8-22-20(16)25-24-19/h4-8,13,15,21H,9-12H2,1-3H3,(H,22,24,25)/t15-/m0/s1
InChIKeyOIXQDSDPJHAJKC-HNNXBMFYSA-N
MW350.47 g/mol
LogP3.15
Rot. Bonds4

About 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 67950023) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID67950023
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1-c1[nH]nc2ncccc12
InChIInChI=1S/C20H26N6/c1-13(2)11-15-12-26(10-9-21-15)17-7-6-14(3)18(23-17)19-16-5-4-8-22-20(16)25-24-19/h4-8,13,15,21H,9-12H2,1-3H3,(H,22,24,25)/t15-/m0/s1
InChIKeyOIXQDSDPJHAJKC-HNNXBMFYSA-N
XLogP3.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 67950023) is 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is Cc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1-c1[nH]nc2ncccc12.
What is the InChIKey of 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is OIXQDSDPJHAJKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6/c1-13(2)11-15-12-26(10-9-21-15)17-7-6-14(3)18(23-17)19-16-5-4-8-22-20(16)25-24-19/h4-8,13,15,21H,9-12H2,1-3H3,(H,22,24,25)/t15-/m0/s1.
What are the key properties of 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 350.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67950023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).